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【结 构 式】 
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【分子编号】41442 【品名】1-methyl-4-[[(1-methyl-4-[[(1-methyl-4-nitro-1H-pyrrol-2-yl)carbonyl]amino]-1H-pyrrol-2-yl)carbonyl]amino]-1H-pyrrole-2-carboxylic acid 【CA登记号】 |
【 分 子 式 】C18H18N6O6 【 分 子 量 】414.37776 【元素组成】C 52.17% H 4.38% N 20.28% O 23.17% |
与该中间体有关的原料药合成路线共 1 条
合成路线1
该中间体在本合成路线中的序号：(IX)The known tripyrrole carboxylic acid derivative (IX) was coupled with aminoethylguanidine (IV) by means of DCC and HOBt to afford amide (X). The nitro group of (X) was reduced by catalytic hydrogenation over Pd/C, and the resulting amine (XI) was finally coupled with acid chloride (VIII) under Schotten-Baumann conditions yielding the title amide.
| 【1】 Cozzi, P.; Beria, I.; Biasoli, G.; Caldarelli, M.; Capolongo, L.; Franzetti, C. (Pharmacia & Upjohn AB); Acryloyl substd. distamycin derivs., process for preparing them, and their use as antitumor and antiviral agents. WO 9804524 . |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (IV) | 41437 | N-(2-aminoethyl)guanidine | C3H10N4 | 详情 | 详情 | |
| (VIII) | 41441 | 4-[(2-bromoacryloyl)amino]-1-methyl-1H-pyrrole-2-carbonyl chloride | C9H8BrClN2O2 | 详情 | 详情 | |
| (IX) | 41442 | 1-methyl-4-[[(1-methyl-4-[[(1-methyl-4-nitro-1H-pyrrol-2-yl)carbonyl]amino]-1H-pyrrol-2-yl)carbonyl]amino]-1H-pyrrole-2-carboxylic acid | C18H18N6O6 | 详情 | 详情 | |
| (X) | 41443 | N-(2-[[amino(imino)methyl]amino]ethyl)-1-methyl-4-[[(1-methyl-4-[[(1-methyl-4-nitro-1H-pyrrol-2-yl)carbonyl]amino]-1H-pyrrol-2-yl)carbonyl]amino]-1H-pyrrole-2-carboxamide | C21H26N10O5 | 详情 | 详情 | |
| (XI) | 41444 | N-(2-[[amino(imino)methyl]amino]ethyl)-4-[[(4-[[(4-amino-1-methyl-1H-pyrrol-2-yl)carbonyl]amino]-1-methyl-1H-pyrrol-2-yl)carbonyl]amino]-1-methyl-1H-pyrrole-2-carboxamide | C21H28N10O3 | 详情 | 详情 |
Extended Information